CID 205028

5-bromo-2,3-dimethylpent-1-en-4-yn-3-ol

Structural Information

Molecular Formula
C7H9BrO
SMILES
CC(=C)C(C)(C#CBr)O
InChI
InChI=1S/C7H9BrO/c1-6(2)7(3,9)4-5-8/h9H,1H2,2-3H3
InChIKey
FCOQZPGPKDNCIW-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dimethylpent-1-en-4-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.98367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99095 134.2
[M+Na]+ 210.97289 147.0
[M-H]- 186.97639 134.6
[M+NH4]+ 206.01749 154.5
[M+K]+ 226.94683 135.9
[M+H-H2O]+ 170.98093 129.7
[M+HCOO]- 232.98187 149.2
[M+CH3COO]- 246.99752 186.7
[M+Na-2H]- 208.95834 139.9
[M]+ 187.98312 144.6
[M]- 187.98422 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.